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PUBCHEM-ZINC05925311

 MMsINC code: MMs03446056
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(CC)C(=O)NCNC(C(CC)C)C(O)=O
InChI:   InChI=1/C10H20N2O4/c1-4-7(3)8(9(13)14)11-6-12-10(15)16-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=0.180478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.88139  SlogP: 0.7789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820586  Sterimol/B1: 3.34417  Sterimol/B2: 3.59038  Sterimol/B3: 4.02165
  Sterimol/B4: 4.08956  Sterimol/L: 15.8866 
 
 Surface and Volume Properties
  Accessible surface: 475.746  Positive charged surface: 350.642  Negative charged surface: 125.104  Volume: 228.625
  Hydrophobic surface: 271.701  Hydrophilic surface: 204.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03446057
PUBCHEM-ZINC05925311